(6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine

C26H17F3N4O2 — CID 67382910

IUPAC(6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine
SMILESNC1CN=C[C@]2(O1)c1cc(-c3cc(F)ccc3F)ccc1Oc1ncc(-c3ccnc(F)c3)cc12
InChIInChI=1S/C26H17F3N4O2/c27-17-2-3-21(28)18(10-17)15-1-4-22-19(7-15)26(13-31-12-24(30)35-26)20-8-16(11-33-25(20)34-22)14-5-6-32-23(29)9-14/h1-11,13,24H,12,30H2/t24?,26-/m0/s1
InChIKeyNGOFEIUCYAOERU-JKGBFCRXSA-N
MW474.44 g/mol
LogP4.96
Rot. Bonds2

About (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine

(6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine (PubChem CID 67382910) has the molecular formula C26H17F3N4O2 and a molecular weight of 474.44 g/mol. Its IUPAC name is (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine.

Molecular Properties

Compound Name(6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine
PubChem CID67382910
Molecular FormulaC26H17F3N4O2
Molecular Weight474.44 g/mol
Exact Mass474.13
IUPAC Name(6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine
SMILESNC1CN=C[C@]2(O1)c1cc(-c3cc(F)ccc3F)ccc1Oc1ncc(-c3ccnc(F)c3)cc12
InChIInChI=1S/C26H17F3N4O2/c27-17-2-3-21(28)18(10-17)15-1-4-22-19(7-15)26(13-31-12-24(30)35-26)20-8-16(11-33-25(20)34-22)14-5-6-32-23(29)9-14/h1-11,13,24H,12,30H2/t24?,26-/m0/s1
InChIKeyNGOFEIUCYAOERU-JKGBFCRXSA-N
XLogP4.96
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67382700
(6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67382987
(2R)-2'-(2-fluoro-3-pyridinyl)-7'-(2-fluoro-4-pyridinyl)spiro[morpholine-6,9'-xanthene]-2-amine
CID 67382799
(6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67383193
2-fluoro-4-(4-fluorophenyl)pyridine
CID 46312736
(3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine
CID 141263103
(4S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-(2-fluoro-4-pyridinyl)spiro[5H-1,3-oxazole-4,9'-xanthene]
CID 67383215
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-pyrimidin-2-ylspiro[5H-1,3-thiazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466117
(5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine
CID 56654138
(4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58465967
5-amino-5'-fluoro-7'-(2-fluoro-4-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67438769
2-fluoro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037455

Frequently Asked Questions

What is the IUPAC name of (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine?
The IUPAC name of (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine (CID 67382910) is (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine.
What is the SMILES notation for (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine?
The canonical SMILES for (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine is NC1CN=C[C@]2(O1)c1cc(-c3cc(F)ccc3F)ccc1Oc1ncc(-c3ccnc(F)c3)cc12.
What is the InChIKey of (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine?
The InChIKey is NGOFEIUCYAOERU-JKGBFCRXSA-N. The full InChI is InChI=1S/C26H17F3N4O2/c27-17-2-3-21(28)18(10-17)15-1-4-22-19(7-15)26(13-31-12-24(30)35-26)20-8-16(11-33-25(20)34-22)14-5-6-32-23(29)9-14/h1-11,13,24H,12,30H2/t24?,26-/m0/s1.
What are the key properties of (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine?
(6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine has a molecular weight of 474.44 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7'-(2,5-difluorophenyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-b]pyridine]-2-amine is sourced from PubChem (CID 67382910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).